Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.44 |
| ▸ | SRC | P12931 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.35 |
| ▸ | MET | P08581 | 1/20 | 0.35 |
| ▸ | PIM1 | P11309 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL15680418 | 0.83 | ADORA2A (0.54) | ESR1SRCKDM4EALDH1A1LMNA | |
| SCHEMBL19426204 | 0.79 | SRC (0.42) | ESR1SRCKDM4EALDH1A1LMNA | |
| SCHEMBL14842265 | 0.79 | ALDH1A1 (0.52) | ESR1SRCKDM4EALDH1A1LMNA | |
| SCHEMBL9319737 | 0.79 | ALDH1A1 (0.66) | ESR1SRCKDM4EALDH1A1LMNA | |
| SCHEMBL17191906 | 0.79 | SRC (0.42) | ESR1SRCKDM4EALDH1A1LMNA | |
| SCHEMBL11012825 | 0.78 | KDM4E (0.51) | ESR1SRCKDM4EALDH1A1LMNA | |
| Hydrochloric Acid SCHEMBL11012829 | 0.78 | ALDH1A1 (0.64) | ESR1SRCKDM4EALDH1A1LMNA | |
| SCHEMBL17193027 | 0.77 | ALDH1A1 (0.50) | ESR1SRCKDM4EALDH1A1LMNA | |
| SCHEMBL14845174 | 0.76 | ALDH1A1 (0.49) | ESR1SRCKDM4EALDH1A1LMNA | |
| SCHEMBL17191900 | 0.74 | ALDH1A1 (0.47) | ESR1SRCKDM4EALDH1A1LMNA |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013052568-A1 | ANTIBACTERIAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2013-04-11 | — | — | WO | disclosed |